3-octyl-1H-benzimidazol-3-ium bromide

Systemtic Name: 3-octyl-1H-benzimidazol-3-ium bromide Openeye Name: 3-octyl-1H-benzimidazol-3-ium bromide CAS Name: 3-octyl-1H-benzimidazol-3-ium bromide IUPAC Name: 3-octyl-1H-benzimidazol-3-ium bromide Traditional Name: 3-octyl-1H-benzimidazol-3-ium bromide Formula: C15H23BrN2 MolecularWeight: 311.26052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=CNC2=CC=CC=C21.[Br-]

Isomeric SMILES

CCCCCCCC[N+]1=CNC2=CC=CC=C21.[Br-]

InChI

InChI=1S/C15H22N2.BrH/c1-2-3-4-5-6-9-12-17-13-16-14-10-7-8-11-15(14)17;/h7-8,10-11,13H,2-6,9,12H2,1H3;1H